(3-methoxy-4-phenylmethoxy-phenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methoxy-4-phenylmethoxyphenyl)methyl ester IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-benzoxy-3-methoxy-benzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N2O4S/c1-14-17(11-22-21(28)23-14)20(24)27-13-16-8-9-18(19(10-16)25-2)26-12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H2,22,23,28)